Dy4UN5
Alexandria ALEXAlex-ID: agm006107553 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_149_spg79
Dy5UN6 UN
2023-10-17 17:37:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006107553).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm006107553
data_agm006107553
_cell_length_a 4.90396
_cell_length_b 5.98423
_cell_length_c 5.98423
_cell_angle_alpha 80.33499
_cell_angle_beta 65.81145
_cell_angle_gamma 65.81145
_cell_volume 146.13199
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Dy1 Dy 0.40170 0.40040 0.79824 1.00000
Dy2 Dy 0.80210 0.79824 0.59960 1.00000
Dy3 Dy 0.19994 0.20176 0.40040 1.00000
Dy4 Dy 0.60034 0.59960 0.20176 1.00000
U1 U 0.00097 1.00000 1.00000 1.00000
N1 N 0.90842 0.37536 0.80984 1.00000
N2 N 0.28378 0.80984 0.62464 1.00000
N3 N 0.71827 0.19016 0.37536 1.00000
N4 N 0.09362 0.62464 0.19016 1.00000
N5 N 0.50116 0.00000 0.00000 1.00000
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